MassBank Record: KO002228



 D-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002228
RECORD_TITLE: D-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA

CH$NAME: D-2-Aminobutyrate CH$NAME: (R)-2-Aminobutanoic acid CH$NAME: D-2-Aminobutanoic acid CH$NAME: D-2-Aminobutyric acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H9NO2 CH$EXACT_MASS: 103.06333 CH$SMILES: CCC(N)C(O)=O CH$IUPAC: InChI=1S/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 CH$LINK: CAS 2623-91-8 CH$LINK: CHEBI 28797 CH$LINK: HMDB HMDB00650 CH$LINK: KEGG C02261 CH$LINK: LIPIDMAPS LMFA01100043 CH$LINK: NIKKAJI J1.815E CH$LINK: PUBCHEM SID:5323
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 104 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-4900000000-8ff7d03a0770e04e7c91 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 35.800 64356.5 2 39.500 14851.5 1 46.000 79208.0 3 50.000 1039605.0 33 58.100 13574271.0 429 68.200 49505.0 2 69.000 39604.0 1 70.800 39604.0 1 71.800 34653.5 1 85.900 64356.5 2 87.000 514852.0 16 104.000 31628744.5 999 //